methyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate

C11H15NO3S — CID 55031912

IUPACmethyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate
SMILESCCc1ccsc1C(=O)N(C)CC(=O)OC
InChIInChI=1S/C11H15NO3S/c1-4-8-5-6-16-10(8)11(14)12(2)7-9(13)15-3/h5-6H,4,7H2,1-3H3
InChIKeyLZQGMKQCUGQJHW-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.56
Rot. Bonds4

About methyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate

methyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate (PubChem CID 55031912) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is methyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate
PubChem CID55031912
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Namemethyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate
SMILESCCc1ccsc1C(=O)N(C)CC(=O)OC
InChIInChI=1S/C11H15NO3S/c1-4-8-5-6-16-10(8)11(14)12(2)7-9(13)15-3/h5-6H,4,7H2,1-3H3
InChIKeyLZQGMKQCUGQJHW-UHFFFAOYSA-N
XLogP1.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide
CID 54993258
4-[[(3-ethylthiophene-2-carbonyl)-methylamino]methyl]benzoic acid
CID 61357225
methyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623319
3-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47374320
1-(3-ethylthiophen-2-yl)-2-methoxyethanone
CID 115783314
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide
CID 114008198
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
methyl 2-[(4-iodobenzoyl)-methylamino]acetate
CID 43407349
ethane;3-ethylthiophene-2-carboxylic acid
CID 142472678
methyl 2-[(2,6-dichlorobenzoyl)-methylamino]acetate
CID 43422763
3-ethyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 113351138
2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid
CID 61389348

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate (CID 55031912) is methyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate is CCc1ccsc1C(=O)N(C)CC(=O)OC.
What is the InChIKey of methyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate?
The InChIKey is LZQGMKQCUGQJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-4-8-5-6-16-10(8)11(14)12(2)7-9(13)15-3/h5-6H,4,7H2,1-3H3.
What are the key properties of methyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate?
methyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate has a molecular weight of 241.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate is sourced from PubChem (CID 55031912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).